SCHEMBL12801993

SCHEMBL12801993

COc1nn(CCO)cc1Nc1ncc2cnn(Cc3ccccc3C#N)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.40
JAK2 O60674 5/20 0.37
JAK3 P52333 4/20 0.37
JAK1 P23458 4/20 0.37
BUB1 O43683 1/20 0.37
USP1 O94782 1/20 0.36
PTK2 Q05397 5/20 0.35
LRRK2 Q5S007 3/20 0.34
CREBBP Q92793 1/20 0.34
MAP3K14 Q99558 2/20 0.33
ACVR1 Q04771 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12801990 0.89 NPBWR1 (0.39) NPBWR1JAK2JAK3JAK1BUB1
SCHEMBL1663154 0.89 MAP3K14 (0.40) NPBWR1JAK2JAK3JAK1BUB1
SCHEMBL12959677 0.88 NPBWR1 (0.38) NPBWR1JAK2JAK3JAK1BUB1
SCHEMBL12797055 0.87 JAK3 (0.41) JAK2JAK3JAK1PTK2LRRK2
SCHEMBL12796184 0.87 JAK3 (0.39) JAK2JAK3JAK1PTK2LRRK2
SCHEMBL1664795 0.85 JAK3 (0.44) JAK2JAK3USP1LRRK2
SCHEMBL12797305 0.84 MAPT (0.38) JAK2JAK3JAK1LRRK2
SCHEMBL1665604 0.83 LRRK2 (0.48) NPBWR1JAK2JAK3JAK1BUB1
SCHEMBL12801916 0.83 JAK2 (0.49) JAK2JAK3JAK1
SCHEMBL12801967 0.82 LRRK2 (0.41) NPBWR1JAK2JAK3JAK1BUB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US claimed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US claimed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 NPBWR1 2415/4885JAK2 3/4885JAK3 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.